(1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

C16H19N5 — CID 115288590

IUPAC(1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1ccc2c(c1)nc(C(N)c1cnn(C)c1)n2C1CC1
InChIInChI=1S/C16H19N5/c1-10-3-6-14-13(7-10)19-16(21(14)12-4-5-12)15(17)11-8-18-20(2)9-11/h3,6-9,12,15H,4-5,17H2,1-2H3
InChIKeyDMOMHLDWXJGFKU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.46
Rot. Bonds3

About (1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

(1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 115288590) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is (1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID115288590
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name(1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1ccc2c(c1)nc(C(N)c1cnn(C)c1)n2C1CC1
InChIInChI=1S/C16H19N5/c1-10-3-6-14-13(7-10)19-16(21(14)12-4-5-12)15(17)11-8-18-20(2)9-11/h3,6-9,12,15H,4-5,17H2,1-2H3
InChIKeyDMOMHLDWXJGFKU-UHFFFAOYSA-N
XLogP2.46
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115288605
(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115473271
(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115289444
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115809289
1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 54920296
1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 60784858
5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793876
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline
CID 63652621
2-(1-chloroethyl)-1-(3,3-dimethylcyclopentyl)-5-methylbenzimidazole
CID 114548609
1-[(1-cyclopropyl-5-methylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846795
[1-(1-cyclopropyl-5-methylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 115433455
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (CID 115288590) is (1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is Cc1ccc2c(c1)nc(C(N)c1cnn(C)c1)n2C1CC1.
What is the InChIKey of (1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is DMOMHLDWXJGFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-10-3-6-14-13(7-10)19-16(21(14)12-4-5-12)15(17)11-8-18-20(2)9-11/h3,6-9,12,15H,4-5,17H2,1-2H3.
What are the key properties of (1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
(1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115288590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).