N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine

C10H10ClN3 — CID 115865665

IUPACN-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine
SMILESC=C(Cl)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H10ClN3/c1-7(11)6-12-10-13-8-4-2-3-5-9(8)14-10/h2-5H,1,6H2,(H2,12,13,14)
InChIKeyWXEJJAYVNZAMLT-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.73
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine

N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine (PubChem CID 115865665) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine
PubChem CID115865665
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC NameN-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine
SMILESC=C(Cl)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H10ClN3/c1-7(11)6-12-10-13-8-4-2-3-5-9(8)14-10/h2-5H,1,6H2,(H2,12,13,14)
InChIKeyWXEJJAYVNZAMLT-UHFFFAOYSA-N
XLogP2.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine
CID 143724992
1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one
CID 157412307
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-benzimidazol-2-amine
CID 113341943
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine (CID 115865665) is N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine is C=C(Cl)CNc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine?
The InChIKey is WXEJJAYVNZAMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-7(11)6-12-10-13-8-4-2-3-5-9(8)14-10/h2-5H,1,6H2,(H2,12,13,14).
What are the key properties of N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine?
N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine has a molecular weight of 207.66 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 115865665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).