N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine

C20H20N4 — CID 4656710

IUPACN-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine
SMILESc1ccc(C(Cc2nc3ccccc3[nH]2)=NN=C2CCCC2)cc1
InChIInChI=1S/C20H20N4/c1-2-8-15(9-3-1)19(24-23-16-10-4-5-11-16)14-20-21-17-12-6-7-13-18(17)22-20/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,21,22)
InChIKeyXPMJBSULRACHEA-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.52
Rot. Bonds4

About N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine

N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine (PubChem CID 4656710) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine.

Molecular Properties

Compound NameN-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine
PubChem CID4656710
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC NameN-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine
SMILESc1ccc(C(Cc2nc3ccccc3[nH]2)=NN=C2CCCC2)cc1
InChIInChI=1S/C20H20N4/c1-2-8-15(9-3-1)19(24-23-16-10-4-5-11-16)14-20-21-17-12-6-7-13-18(17)22-20/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,21,22)
InChIKeyXPMJBSULRACHEA-UHFFFAOYSA-N
XLogP4.52
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 25344926
2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine
CID 71951324
(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine
CID 35580856
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine
CID 3489613
N-[[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]amino]aniline
CID 4621392
N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
CID 6520440
2-(1H-benzimidazol-2-yl)acetate
CID 6955878
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-3-nitrobenzamide
CID 5083022
2-(2-methylidenebut-3-enyl)-1H-benzimidazole
CID 163413437
2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine
CID 63641014
2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide
CID 63640669
3-[(2E)-2-[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]hydrazinyl]propanenitrile
CID 6520359

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine?
The IUPAC name of N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine (CID 4656710) is N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine.
What is the SMILES notation for N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine?
The canonical SMILES for N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine is c1ccc(C(Cc2nc3ccccc3[nH]2)=NN=C2CCCC2)cc1.
What is the InChIKey of N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine?
The InChIKey is XPMJBSULRACHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-2-8-15(9-3-1)19(24-23-16-10-4-5-11-16)14-20-21-17-12-6-7-13-18(17)22-20/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,21,22).
What are the key properties of N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine?
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine has a molecular weight of 316.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine is sourced from PubChem (CID 4656710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).