N-prop-2-enyl-1H-benzimidazol-2-amine

C10H11N3 — CID 11171255

IUPACN-prop-2-enyl-1H-benzimidazol-2-amine
SMILESC=CCNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h2-6H,1,7H2,(H2,11,12,13)
InChIKeyRZBMLTMSOBRUBM-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.16
Rot. Bonds3

About N-prop-2-enyl-1H-benzimidazol-2-amine

N-prop-2-enyl-1H-benzimidazol-2-amine (PubChem CID 11171255) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-prop-2-enyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1H-benzimidazol-2-amine
PubChem CID11171255
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC NameN-prop-2-enyl-1H-benzimidazol-2-amine
SMILESC=CCNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h2-6H,1,7H2,(H2,11,12,13)
InChIKeyRZBMLTMSOBRUBM-UHFFFAOYSA-N
XLogP2.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine
CID 115865665
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine
CID 143724992
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1H-benzimidazol-2-amine?
The IUPAC name of N-prop-2-enyl-1H-benzimidazol-2-amine (CID 11171255) is N-prop-2-enyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-prop-2-enyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-prop-2-enyl-1H-benzimidazol-2-amine is C=CCNc1nc2ccccc2[nH]1.
What is the InChIKey of N-prop-2-enyl-1H-benzimidazol-2-amine?
The InChIKey is RZBMLTMSOBRUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h2-6H,1,7H2,(H2,11,12,13).
What are the key properties of N-prop-2-enyl-1H-benzimidazol-2-amine?
N-prop-2-enyl-1H-benzimidazol-2-amine has a molecular weight of 173.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 11171255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).