N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C16H20N4O2 — CID 138035232

IUPACN-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCCn1cccc(CNC(=O)C2CCc3nc[nH]c3C2)c1=O
InChIInChI=1S/C16H20N4O2/c1-2-20-7-3-4-12(16(20)22)9-17-15(21)11-5-6-13-14(8-11)19-10-18-13/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,17,21)(H,18,19)
InChIKeyMIJJZNFMTLNZCN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.01
Rot. Bonds4

About N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 138035232) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID138035232
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCCn1cccc(CNC(=O)C2CCc3nc[nH]c3C2)c1=O
InChIInChI=1S/C16H20N4O2/c1-2-20-7-3-4-12(16(20)22)9-17-15(21)11-5-6-13-14(8-11)19-10-18-13/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,17,21)(H,18,19)
InChIKeyMIJJZNFMTLNZCN-UHFFFAOYSA-N
XLogP1.01
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640228
(5S)-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661137
(5R)-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661129
(5S)-N-(1H-indol-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661264
N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 20738533
(5S)-N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 164633259
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
N-butyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639977
N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640012
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860
N-(1,3-benzodioxol-5-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628324
N-(2,2-diethoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639994

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 138035232) is N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is CCn1cccc(CNC(=O)C2CCc3nc[nH]c3C2)c1=O.
What is the InChIKey of N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is MIJJZNFMTLNZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-20-7-3-4-12(16(20)22)9-17-15(21)11-5-6-13-14(8-11)19-10-18-13/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 138035232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).