[1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium

C13H14CrN2 — CID 11429221

IUPAC[1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium
SMILESC=CCn1c(=[Cr])n(CC=C)c2ccccc21
InChIInChI=1S/C13H14N2.Cr/c1-3-9-14-11-15(10-4-2)13-8-6-5-7-12(13)14;/h3-8H,1-2,9-10H2;
InChIKeyOGCPKFWXHBAZIK-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.89
Rot. Bonds4

About [1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium

[1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium (PubChem CID 11429221) has the molecular formula C13H14CrN2 and a molecular weight of 250.26 g/mol. Its IUPAC name is [1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium.

Molecular Properties

Compound Name[1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium
PubChem CID11429221
Molecular FormulaC13H14CrN2
Molecular Weight250.26 g/mol
Exact Mass250.06
IUPAC Name[1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium
SMILESC=CCn1c(=[Cr])n(CC=C)c2ccccc21
InChIInChI=1S/C13H14N2.Cr/c1-3-9-14-11-15(10-4-2)13-8-6-5-7-12(13)14;/h3-8H,1-2,9-10H2;
InChIKeyOGCPKFWXHBAZIK-UHFFFAOYSA-N
XLogP2.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
2-chloro-1-prop-2-enylbenzimidazole
CID 39916426
9-prop-2-enylpyrido[3,4-b]indole
CID 53258041
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
CID 173061092
3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one
CID 163564919
(4-chlorophenyl) 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)acetate
CID 4527020
1,3-bis(but-3-enyl)benzimidazol-2-one
CID 155329278
7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one
CID 28802572
1-[2-(4-methoxyphenoxy)ethyl]-3-prop-2-enylbenzimidazol-2-imine
CID 798717
4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 9498727
4,24-bis(prop-2-enyl)-4,24-diazaheptacyclo[13.10.0.02,13.03,11.05,10.017,25.018,23]pentacosa-1(15),2(13),3(11),5,7,9,17(25),18,20,22-decaene
CID 155929556
1-methyl-3-prop-2-enyl-4-sulfanylidenequinazolin-2-one
CID 3031685

Frequently Asked Questions

What is the IUPAC name of [1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium?
The IUPAC name of [1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium (CID 11429221) is [1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium.
What is the SMILES notation for [1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium?
The canonical SMILES for [1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium is C=CCn1c(=[Cr])n(CC=C)c2ccccc21.
What is the InChIKey of [1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium?
The InChIKey is OGCPKFWXHBAZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.Cr/c1-3-9-14-11-15(10-4-2)13-8-6-5-7-12(13)14;/h3-8H,1-2,9-10H2;.
What are the key properties of [1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium?
[1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium has a molecular weight of 250.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium is sourced from PubChem (CID 11429221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).