(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

C15H16ClN5 — CID 115473271

IUPAC(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc3ccc(Cl)cc3n2C2CC2)cn1
InChIInChI=1S/C15H16ClN5/c1-20-8-9(7-18-20)14(17)15-19-12-5-2-10(16)6-13(12)21(15)11-3-4-11/h2,5-8,11,14H,3-4,17H2,1H3
InChIKeyYVFNVMANJIDSPP-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.81
Rot. Bonds3

About (6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 115473271) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is (6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID115473271
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2nc3ccc(Cl)cc3n2C2CC2)cn1
InChIInChI=1S/C15H16ClN5/c1-20-8-9(7-18-20)14(17)15-19-12-5-2-10(16)6-13(12)21(15)11-3-4-11/h2,5-8,11,14H,3-4,17H2,1H3
InChIKeyYVFNVMANJIDSPP-UHFFFAOYSA-N
XLogP2.81
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (CID 115473271) is (6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(N)c2nc3ccc(Cl)cc3n2C2CC2)cn1.
What is the InChIKey of (6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is YVFNVMANJIDSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-20-8-9(7-18-20)14(17)15-19-12-5-2-10(16)6-13(12)21(15)11-3-4-11/h2,5-8,11,14H,3-4,17H2,1H3.
What are the key properties of (6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 301.78 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115473271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).