N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide

C15H14N4O3 — CID 35808153

IUPACN-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N4O3/c1-9(16-14(21)12-7-4-8-22-12)13(20)19-15-17-10-5-2-3-6-11(10)18-15/h2-9H,1H3,(H,16,21)(H2,17,18,19,20)/t9-/m0/s1
InChIKeyUWMROTSXWOLHBE-VIFPVBQESA-N
MW298.30 g/mol
LogP1.91
Rot. Bonds4

About N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 35808153) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID35808153
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N4O3/c1-9(16-14(21)12-7-4-8-22-12)13(20)19-15-17-10-5-2-3-6-11(10)18-15/h2-9H,1H3,(H,16,21)(H2,17,18,19,20)/t9-/m0/s1
InChIKeyUWMROTSXWOLHBE-VIFPVBQESA-N
XLogP1.91
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78769855
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
(3R)-N-[(2R)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51808795
(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47289682
N-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47098607
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 27649409
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide (CID 35808153) is N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is UWMROTSXWOLHBE-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9(16-14(21)12-7-4-8-22-12)13(20)19-15-17-10-5-2-3-6-11(10)18-15/h2-9H,1H3,(H,16,21)(H2,17,18,19,20)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 35808153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).