N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide

C15H15N3O2 — CID 47120283

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N3O2/c1-9-7-8-20-13(9)15(19)16-10(2)14-17-11-5-3-4-6-12(11)18-14/h3-8,10H,1-2H3,(H,16,19)(H,17,18)
InChIKeyJOBURZGDIZXEEO-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide (PubChem CID 47120283) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide
PubChem CID47120283
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N3O2/c1-9-7-8-20-13(9)15(19)16-10(2)14-17-11-5-3-4-6-12(11)18-14/h3-8,10H,1-2H3,(H,16,19)(H,17,18)
InChIKeyJOBURZGDIZXEEO-UHFFFAOYSA-N
XLogP2.96
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106688409
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 46994776
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79937377
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide (CID 47120283) is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide?
The InChIKey is JOBURZGDIZXEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-7-8-20-13(9)15(19)16-10(2)14-17-11-5-3-4-6-12(11)18-14/h3-8,10H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 47120283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).