[1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate

C30H35N5O5 — CID 175109884

IUPAC[1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate
SMILESCOc1cc(C(=O)N2CCCC(OC(N)=O)C2)cc2nc(-c3cc4ccccc4n3CC3CCOCC3)n(C)c12
InChIInChI=1S/C30H35N5O5/c1-33-27-23(14-21(16-26(27)38-2)29(36)34-11-5-7-22(18-34)40-30(31)37)32-28(33)25-15-20-6-3-4-8-24(20)35(25)17-19-9-12-39-13-10-19/h3-4,6,8,14-16,19,22H,5,7,9-13,17-18H2,1-2H3,(H2,31,37)
InChIKeyWMLMVWDXEAJUGM-UHFFFAOYSA-N
MW545.64 g/mol
LogP4.33
Rot. Bonds6

About [1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate

[1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate (PubChem CID 175109884) has the molecular formula C30H35N5O5 and a molecular weight of 545.64 g/mol. Its IUPAC name is [1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate
PubChem CID175109884
Molecular FormulaC30H35N5O5
Molecular Weight545.64 g/mol
Exact Mass545.26
IUPAC Name[1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate
SMILESCOc1cc(C(=O)N2CCCC(OC(N)=O)C2)cc2nc(-c3cc4ccccc4n3CC3CCOCC3)n(C)c12
InChIInChI=1S/C30H35N5O5/c1-33-27-23(14-21(16-26(27)38-2)29(36)34-11-5-7-22(18-34)40-30(31)37)32-28(33)25-15-20-6-3-4-8-24(20)35(25)17-19-9-12-39-13-10-19/h3-4,6,8,14-16,19,22H,5,7,9-13,17-18H2,1-2H3,(H2,31,37)
InChIKeyWMLMVWDXEAJUGM-UHFFFAOYSA-N
XLogP4.33
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.64
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175351494
[(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175351492
[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703116
[1-[2-[2-cyclopropyl-4-(cyclopropylmethyl)pyrrolo[2,3-d][1,3]thiazol-5-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175110194
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(2-hydroxyethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122703159
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 122702856
[1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175099669
[(3R)-1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] N-tert-butylcarbamate
CID 175103864
2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carboxylic acid
CID 86340186
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-2-[1-(3-methoxypropyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 122703123
[(3R)-1-[7-methoxy-1-methyl-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-b]pyrrol-5-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175300677
[2-[1-(cyclopropylmethyl)-6-(oxan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 134482149

Frequently Asked Questions

What is the IUPAC name of [1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The IUPAC name of [1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate (CID 175109884) is [1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate.
What is the SMILES notation for [1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The canonical SMILES for [1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate is COc1cc(C(=O)N2CCCC(OC(N)=O)C2)cc2nc(-c3cc4ccccc4n3CC3CCOCC3)n(C)c12.
What is the InChIKey of [1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The InChIKey is WMLMVWDXEAJUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O5/c1-33-27-23(14-21(16-26(27)38-2)29(36)34-11-5-7-22(18-34)40-30(31)37)32-28(33)25-15-20-6-3-4-8-24(20)35(25)17-19-9-12-39-13-10-19/h3-4,6,8,14-16,19,22H,5,7,9-13,17-18H2,1-2H3,(H2,31,37).
What are the key properties of [1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
[1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate has a molecular weight of 545.64 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate is sourced from PubChem (CID 175109884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).