N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide

C19H22N4O3 — CID 4891268

IUPACN-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccco1)n2C
InChIInChI=1S/C19H22N4O3/c1-3-5-18(24)21-13-7-8-15-14(12-13)22-17(23(15)2)9-10-20-19(25)16-6-4-11-26-16/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyDQPZDUVPMYUQDB-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds7

About N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 4891268) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID4891268
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccco1)n2C
InChIInChI=1S/C19H22N4O3/c1-3-5-18(24)21-13-7-8-15-14(12-13)22-17(23(15)2)9-10-20-19(25)16-6-4-11-26-16/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyDQPZDUVPMYUQDB-UHFFFAOYSA-N
XLogP2.88
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 4891268) is N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide is CCCC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccco1)n2C.
What is the InChIKey of N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is DQPZDUVPMYUQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-5-18(24)21-13-7-8-15-14(12-13)22-17(23(15)2)9-10-20-19(25)16-6-4-11-26-16/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 4891268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).