1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine

C16H21N5 — CID 122095318

IUPAC1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine
SMILESN/C(=N\Cc1nc2ccccc2n1C1CC1)NC1CCC1
InChIInChI=1S/C16H21N5/c17-16(19-11-4-3-5-11)18-10-15-20-13-6-1-2-7-14(13)21(15)12-8-9-12/h1-2,6-7,11-12H,3-5,8-10H2,(H3,17,18,19)
InChIKeyWXRVIQNCVIQRLY-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.33
Rot. Bonds4

About 1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine

1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine (PubChem CID 122095318) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine
PubChem CID122095318
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine
SMILESN/C(=N\Cc1nc2ccccc2n1C1CC1)NC1CCC1
InChIInChI=1S/C16H21N5/c17-16(19-11-4-3-5-11)18-10-15-20-13-6-1-2-7-14(13)21(15)12-8-9-12/h1-2,6-7,11-12H,3-5,8-10H2,(H3,17,18,19)
InChIKeyWXRVIQNCVIQRLY-UHFFFAOYSA-N
XLogP2.33
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
CID 111751900
N-methyl-3-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970719
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 111597779
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 65243114
2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 146089283
1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 79615142
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
1-cyclopentyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119148112
1-tert-butyl-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111033394
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]pyrazol-4-amine
CID 61285753

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine?
The IUPAC name of 1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine (CID 122095318) is 1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine is N/C(=N\Cc1nc2ccccc2n1C1CC1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine?
The InChIKey is WXRVIQNCVIQRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-16(19-11-4-3-5-11)18-10-15-20-13-6-1-2-7-14(13)21(15)12-8-9-12/h1-2,6-7,11-12H,3-5,8-10H2,(H3,17,18,19).
What are the key properties of 1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine?
1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine has a molecular weight of 283.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine is sourced from PubChem (CID 122095318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).