7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide

C22H23N5O3 — CID 155554979

IUPAC7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(NC(=O)c2cc3ccccc3n2C)nc2cc(C(N)=O)cc(OC)c21
InChIInChI=1S/C22H23N5O3/c1-4-9-27-19-15(10-14(20(23)28)12-18(19)30-3)24-22(27)25-21(29)17-11-13-7-5-6-8-16(13)26(17)2/h5-8,10-12H,4,9H2,1-3H3,(H2,23,28)(H,24,25,29)
InChIKeyQUQNTSOVKFWUDZ-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.30
Rot. Bonds6

About 7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide

7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide (PubChem CID 155554979) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide
PubChem CID155554979
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(NC(=O)c2cc3ccccc3n2C)nc2cc(C(N)=O)cc(OC)c21
InChIInChI=1S/C22H23N5O3/c1-4-9-27-19-15(10-14(20(23)28)12-18(19)30-3)24-22(27)25-21(29)17-11-13-7-5-6-8-16(13)26(17)2/h5-8,10-12H,4,9H2,1-3H3,(H2,23,28)(H,24,25,29)
InChIKeyQUQNTSOVKFWUDZ-UHFFFAOYSA-N
XLogP3.30
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide?
The IUPAC name of 7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide (CID 155554979) is 7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide is CCCn1c(NC(=O)c2cc3ccccc3n2C)nc2cc(C(N)=O)cc(OC)c21.
What is the InChIKey of 7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide?
The InChIKey is QUQNTSOVKFWUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-4-9-27-19-15(10-14(20(23)28)12-18(19)30-3)24-22(27)25-21(29)17-11-13-7-5-6-8-16(13)26(17)2/h5-8,10-12H,4,9H2,1-3H3,(H2,23,28)(H,24,25,29).
What are the key properties of 7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide?
7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(1-methylindole-2-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 155554979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).