5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide

C21H25N5O3 — CID 45490627

IUPAC5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide
SMILESCCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C
InChIInChI=1S/C21H25N5O3/c1-4-9-29-18-14(19(22)27)11-25(2)17(18)20-24-15-10-13(7-8-16(15)26(20)3)23-21(28)12-5-6-12/h7-8,10-12H,4-6,9H2,1-3H3,(H2,22,27)(H,23,28)
InChIKeyVHRRGGPAZGDQTN-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.82
Rot. Bonds7

About 5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide

5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide (PubChem CID 45490627) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide
PubChem CID45490627
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide
SMILESCCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C
InChIInChI=1S/C21H25N5O3/c1-4-9-29-18-14(19(22)27)11-25(2)17(18)20-24-15-10-13(7-8-16(15)26(20)3)23-21(28)12-5-6-12/h7-8,10-12H,4-6,9H2,1-3H3,(H2,22,27)(H,23,28)
InChIKeyVHRRGGPAZGDQTN-UHFFFAOYSA-N
XLogP2.82
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide
CID 45490474
5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide
CID 45490733
N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 135638530
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
CID 45490466
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490630
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
4-methoxy-N,1-dimethyl-5-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]pyrrole-3-carboxamide
CID 45490504
5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
CID 45490682
4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490653
4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490510
N-[2-[1-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270460

Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide?
The IUPAC name of 5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide (CID 45490627) is 5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide.
What is the SMILES notation for 5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide?
The canonical SMILES for 5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide is CCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C.
What is the InChIKey of 5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide?
The InChIKey is VHRRGGPAZGDQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-4-9-29-18-14(19(22)27)11-25(2)17(18)20-24-15-10-13(7-8-16(15)26(20)3)23-21(28)12-5-6-12/h7-8,10-12H,4-6,9H2,1-3H3,(H2,22,27)(H,23,28).
What are the key properties of 5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide?
5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide is sourced from PubChem (CID 45490627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).