5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide

C32H36N4O3 — CID 58525798

IUPAC5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide
SMILESCOc1ccc(Cn2c(N)nc3ccc(Oc4ccccc4)cc32)cc1C(=O)N(CC1CC1)C1CCCCC1
InChIInChI=1S/C32H36N4O3/c1-38-30-17-14-23(18-27(30)31(37)35(20-22-12-13-22)24-8-4-2-5-9-24)21-36-29-19-26(15-16-28(29)34-32(36)33)39-25-10-6-3-7-11-25/h3,6-7,10-11,14-19,22,24H,2,4-5,8-9,12-13,20-21H2,1H3,(H2,33,34)
InChIKeyZHHAQQJDXJHQDH-UHFFFAOYSA-N
MW524.67 g/mol
LogP6.65
Rot. Bonds9

About 5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide

5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide (PubChem CID 58525798) has the molecular formula C32H36N4O3 and a molecular weight of 524.67 g/mol. Its IUPAC name is 5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide
PubChem CID58525798
Molecular FormulaC32H36N4O3
Molecular Weight524.67 g/mol
Exact Mass524.28
IUPAC Name5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide
SMILESCOc1ccc(Cn2c(N)nc3ccc(Oc4ccccc4)cc32)cc1C(=O)N(CC1CC1)C1CCCCC1
InChIInChI=1S/C32H36N4O3/c1-38-30-17-14-23(18-27(30)31(37)35(20-22-12-13-22)24-8-4-2-5-9-24)21-36-29-19-26(15-16-28(29)34-32(36)33)39-25-10-6-3-7-11-25/h3,6-7,10-11,14-19,22,24H,2,4-5,8-9,12-13,20-21H2,1H3,(H2,33,34)
InChIKeyZHHAQQJDXJHQDH-UHFFFAOYSA-N
XLogP6.65
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide?
The IUPAC name of 5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide (CID 58525798) is 5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide.
What is the SMILES notation for 5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide?
The canonical SMILES for 5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide is COc1ccc(Cn2c(N)nc3ccc(Oc4ccccc4)cc32)cc1C(=O)N(CC1CC1)C1CCCCC1.
What is the InChIKey of 5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide?
The InChIKey is ZHHAQQJDXJHQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O3/c1-38-30-17-14-23(18-27(30)31(37)35(20-22-12-13-22)24-8-4-2-5-9-24)21-36-29-19-26(15-16-28(29)34-32(36)33)39-25-10-6-3-7-11-25/h3,6-7,10-11,14-19,22,24H,2,4-5,8-9,12-13,20-21H2,1H3,(H2,33,34).
What are the key properties of 5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide?
5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide has a molecular weight of 524.67 g/mol, XLogP of 6.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-6-phenoxybenzimidazol-1-yl)methyl]-N-cyclohexyl-N-(cyclopropylmethyl)-2-methoxybenzamide is sourced from PubChem (CID 58525798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).