1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C19H24N4O3 — CID 70728714

IUPAC1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc2nc(CCN(C)C(=O)C3CC(=O)N(C4CC4)C3)[nH]c2c1
InChIInChI=1S/C19H24N4O3/c1-22(19(25)12-9-18(24)23(11-12)13-3-4-13)8-7-17-20-15-6-5-14(26-2)10-16(15)21-17/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,20,21)
InChIKeyCHUKTFMSKLJGHI-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.58
Rot. Bonds6

About 1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 70728714) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID70728714
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc2nc(CCN(C)C(=O)C3CC(=O)N(C4CC4)C3)[nH]c2c1
InChIInChI=1S/C19H24N4O3/c1-22(19(25)12-9-18(24)23(11-12)13-3-4-13)8-7-17-20-15-6-5-14(26-2)10-16(15)21-17/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,20,21)
InChIKeyCHUKTFMSKLJGHI-UHFFFAOYSA-N
XLogP1.58
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97145314
N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72877164
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125172872
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42917812
N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 77078996
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide
CID 90649076
2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 42195933
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55585273
1-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55575180
1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 50965938
(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 36516204
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide
CID 131947626

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 70728714) is 1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccc2nc(CCN(C)C(=O)C3CC(=O)N(C4CC4)C3)[nH]c2c1.
What is the InChIKey of 1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CHUKTFMSKLJGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22(19(25)12-9-18(24)23(11-12)13-3-4-13)8-7-17-20-15-6-5-14(26-2)10-16(15)21-17/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(H,20,21).
What are the key properties of 1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70728714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).