(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

C17H23N5 — CID 95197634

IUPAC(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(C[C@H](C)NCCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H23N5/c1-12-10-14(3)22(21-12)11-13(2)18-9-8-17-19-15-6-4-5-7-16(15)20-17/h4-7,10,13,18H,8-9,11H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyQTBKCYDVPKDUSR-ZDUSSCGKSA-N
MW297.41 g/mol
LogP2.60
Rot. Bonds6

About (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (PubChem CID 95197634) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
PubChem CID95197634
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(C[C@H](C)NCCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H23N5/c1-12-10-14(3)22(21-12)11-13(2)18-9-8-17-19-15-6-4-5-7-16(15)20-17/h4-7,10,13,18H,8-9,11H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyQTBKCYDVPKDUSR-ZDUSSCGKSA-N
XLogP2.60
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95229565
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine
CID 111278671
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-phenoxypropan-2-amine
CID 50958666
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine;hydroiodide
CID 111278670
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 95200660
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
CID 126448508
1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 46962152
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
CID 125445317
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
N-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 43816278
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (CID 95197634) is (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is Cc1cc(C)n(C[C@H](C)NCCc2nc3ccccc3[nH]2)n1.
What is the InChIKey of (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The InChIKey is QTBKCYDVPKDUSR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5/c1-12-10-14(3)22(21-12)11-13(2)18-9-8-17-19-15-6-4-5-7-16(15)20-17/h4-7,10,13,18H,8-9,11H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 95197634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).