N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide

C14H13F2N3O — CID 97246512

IUPACN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide
SMILESO=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1=CCCC1
InChIInChI=1S/C14H13F2N3O/c15-12(16)13-18-10-6-5-9(7-11(10)19-13)17-14(20)8-3-1-2-4-8/h3,5-7,12H,1-2,4H2,(H,17,20)(H,18,19)
InChIKeyIYKLFHNSHWAKDC-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.55
Rot. Bonds3

About N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide

N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide (PubChem CID 97246512) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide
PubChem CID97246512
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide
SMILESO=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1=CCCC1
InChIInChI=1S/C14H13F2N3O/c15-12(16)13-18-10-6-5-9(7-11(10)19-13)17-14(20)8-3-1-2-4-8/h3,5-7,12H,1-2,4H2,(H,17,20)(H,18,19)
InChIKeyIYKLFHNSHWAKDC-UHFFFAOYSA-N
XLogP3.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
CID 75391625
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 166187226
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide
CID 75391622
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 126789939
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 126784919
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 155945331
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 71906546
2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate
CID 56561529
2-(difluoromethyl)-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
CID 145039648
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide?
The IUPAC name of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide (CID 97246512) is N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide is O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C1=CCCC1.
What is the InChIKey of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide?
The InChIKey is IYKLFHNSHWAKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-12(16)13-18-10-6-5-9(7-11(10)19-13)17-14(20)8-3-1-2-4-8/h3,5-7,12H,1-2,4H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide?
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide has a molecular weight of 277.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide is sourced from PubChem (CID 97246512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).