N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide

C18H19N5O — CID 178024274

IUPACN-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
SMILESC[C@@H](C/C=C/c1cncc(N)c1)NC(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N5O/c1-12(5-4-6-13-9-14(19)11-20-10-13)21-18(24)17-22-15-7-2-3-8-16(15)23-17/h2-4,6-12H,5,19H2,1H3,(H,21,24)(H,22,23)/b6-4+/t12-/m0/s1
InChIKeyPIPBSQOICIUCGY-FUEXJSSKSA-N
MW321.38 g/mol
LogP2.76
Rot. Bonds5

About N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide

N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide (PubChem CID 178024274) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
PubChem CID178024274
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
SMILESC[C@@H](C/C=C/c1cncc(N)c1)NC(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N5O/c1-12(5-4-6-13-9-14(19)11-20-10-13)21-18(24)17-22-15-7-2-3-8-16(15)23-17/h2-4,6-12H,5,19H2,1H3,(H,21,24)(H,22,23)/b6-4+/t12-/m0/s1
InChIKeyPIPBSQOICIUCGY-FUEXJSSKSA-N
XLogP2.76
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E,2S)-5-(6-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023979
N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023692
N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023743
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-4-chloro-1H-benzimidazole-2-carboxamide
CID 178023812
N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024052
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023761
N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023775
N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024438
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
(3S)-3-[[(2S)-2-(1H-benzimidazole-2-carbonylamino)propanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 90983656
N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide (CID 178024274) is N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide is C[C@@H](C/C=C/c1cncc(N)c1)NC(=O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide?
The InChIKey is PIPBSQOICIUCGY-FUEXJSSKSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12(5-4-6-13-9-14(19)11-20-10-13)21-18(24)17-22-15-7-2-3-8-16(15)23-17/h2-4,6-12H,5,19H2,1H3,(H,21,24)(H,22,23)/b6-4+/t12-/m0/s1.
What are the key properties of N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide?
N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 178024274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).