N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide

C15H13ClN4O3 — CID 51099324

IUPACN-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide
SMILESCn1c(NC(=O)CNC(=O)c2ccoc2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN4O3/c1-20-12-3-2-10(16)6-11(12)18-15(20)19-13(21)7-17-14(22)9-4-5-23-8-9/h2-6,8H,7H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyKSGPYTPXABGLCA-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.19
Rot. Bonds4

About N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide

N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 51099324) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide
PubChem CID51099324
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC NameN-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide
SMILESCn1c(NC(=O)CNC(=O)c2ccoc2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN4O3/c1-20-12-3-2-10(16)6-11(12)18-15(20)19-13(21)7-17-14(22)9-4-5-23-8-9/h2-6,8H,7H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyKSGPYTPXABGLCA-UHFFFAOYSA-N
XLogP2.19
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 52793296
N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 71935646
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51099093
N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 71882719
N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]acetamide
CID 146142178
N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide
CID 46431023
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide
CID 46450348
N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide
CID 86868002
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 86868766
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide
CID 163565007
4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide
CID 142463361

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide (CID 51099324) is N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide is Cn1c(NC(=O)CNC(=O)c2ccoc2)nc2cc(Cl)ccc21.
What is the InChIKey of N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is KSGPYTPXABGLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c1-20-12-3-2-10(16)6-11(12)18-15(20)19-13(21)7-17-14(22)9-4-5-23-8-9/h2-6,8H,7H2,1H3,(H,17,22)(H,18,19,21).
What are the key properties of N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide?
N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 332.75 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 51099324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).