[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium

C26H24ClN4O2+ — CID 142812894

IUPAC[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
SMILESO=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1)c1ccc([ClH+])cc1
InChIInChI=1S/C26H23ClN4O2/c27-19-9-5-18(6-10-19)26(33)29-21-13-14-22-23(15-21)31-24(30-22)16-7-11-20(12-8-16)28-25(32)17-3-1-2-4-17/h5-15,17,27H,1-4H2,(H2-,28,29,30,31,32,33)/p+1
InChIKeyICHMCOFCTHROJD-UHFFFAOYSA-O
MW459.96 g/mol
LogP5.31
Rot. Bonds5

About [4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium

[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium (PubChem CID 142812894) has the molecular formula C26H24ClN4O2+ and a molecular weight of 459.96 g/mol. Its IUPAC name is [4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium.

Molecular Properties

Compound Name[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
PubChem CID142812894
Molecular FormulaC26H24ClN4O2+
Molecular Weight459.96 g/mol
Exact Mass459.16
IUPAC Name[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
SMILESO=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1)c1ccc([ClH+])cc1
InChIInChI=1S/C26H23ClN4O2/c27-19-9-5-18(6-10-19)26(33)29-21-13-14-22-23(15-21)31-24(30-22)16-7-11-20(12-8-16)28-25(32)17-3-1-2-4-17/h5-15,17,27H,1-4H2,(H2-,28,29,30,31,32,33)/p+1
InChIKeyICHMCOFCTHROJD-UHFFFAOYSA-O
XLogP5.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.96
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 71169778
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 20694954
N-(2-bicyclo[2.2.1]heptanyl)-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 20740008
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide
CID 142169522
N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 10163584

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium?
The IUPAC name of [4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium (CID 142812894) is [4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium.
What is the SMILES notation for [4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium?
The canonical SMILES for [4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium is O=C(Nc1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1)c1ccc([ClH+])cc1.
What is the InChIKey of [4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium?
The InChIKey is ICHMCOFCTHROJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H23ClN4O2/c27-19-9-5-18(6-10-19)26(33)29-21-13-14-22-23(15-21)31-24(30-22)16-7-11-20(12-8-16)28-25(32)17-3-1-2-4-17/h5-15,17,27H,1-4H2,(H2-,28,29,30,31,32,33)/p+1.
What are the key properties of [4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium?
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium has a molecular weight of 459.96 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium is sourced from PubChem (CID 142812894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).