N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide

C17H18N4O — CID 154793757

IUPACN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NCc1nc2ccccc2n1C1CC1
InChIInChI=1S/C17H18N4O/c1-11-13(8-9-18-11)17(22)19-10-16-20-14-4-2-3-5-15(14)21(16)12-6-7-12/h2-5,8-9,12,18H,6-7,10H2,1H3,(H,19,22)
InChIKeyJSTYNKXSTORIGO-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.94
Rot. Bonds4

About N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 154793757) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID154793757
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NCc1nc2ccccc2n1C1CC1
InChIInChI=1S/C17H18N4O/c1-11-13(8-9-18-11)17(22)19-10-16-20-14-4-2-3-5-15(14)21(16)12-6-7-12/h2-5,8-9,12,18H,6-7,10H2,1H3,(H,19,22)
InChIKeyJSTYNKXSTORIGO-UHFFFAOYSA-N
XLogP2.94
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110712126
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 136530963
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]isoquinoline-4-carboxamide
CID 166212126
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 110712099
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea
CID 110747246
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122556376
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110712108
2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 146089283
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110712110
3-(aminomethyl)-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 167772045
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 110712137

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 154793757) is N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)NCc1nc2ccccc2n1C1CC1.
What is the InChIKey of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is JSTYNKXSTORIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-13(8-9-18-11)17(22)19-10-16-20-14-4-2-3-5-15(14)21(16)12-6-7-12/h2-5,8-9,12,18H,6-7,10H2,1H3,(H,19,22).
What are the key properties of N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 154793757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).