N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine

C21H23N5 — CID 122139558

IUPACN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1CCNC(c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C21H23N5/c1-25-19-11-7-6-10-18(19)24-21(25)20(16-8-4-3-5-9-16)22-14-12-17-13-15-23-26(17)2/h3-11,13,15,20,22H,12,14H2,1-2H3
InChIKeyDQYNBIFMNBNOLW-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.23
Rot. Bonds6

About N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine

N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 122139558) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine
PubChem CID122139558
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1CCNC(c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C21H23N5/c1-25-19-11-7-6-10-18(19)24-21(25)20(16-8-4-3-5-9-16)22-14-12-17-13-15-23-26(17)2/h3-11,13,15,20,22H,12,14H2,1-2H3
InChIKeyDQYNBIFMNBNOLW-UHFFFAOYSA-N
XLogP3.23
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 95567515
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
(1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 99613009
2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 103464752
3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol
CID 95567517
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
1-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]piperidin-4-amine
CID 75383078

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine (CID 122139558) is N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine is Cn1nccc1CCNC(c1ccccc1)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is DQYNBIFMNBNOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-25-19-11-7-6-10-18(19)24-21(25)20(16-8-4-3-5-9-16)22-14-12-17-13-15-23-26(17)2/h3-11,13,15,20,22H,12,14H2,1-2H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine?
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 345.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 122139558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).